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S49076

CAT: 1568-C13397-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C13397-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1265965-22-7
SKU
C13397-10mg
Target
C-Met
Applications
Protein Tyrosine Kinase
Smiles
C1COCCN1CC2=CNC (=C2) C=C3C4=C (C=CC (=C4) CN5C (=O) CSC5=O) NC3=O
Molecular Formula
C22H22N4O4S
Additionnal Information
S49076 is a novel, potent inhibitor of Met (c-Met), AXL/MER, and FGFR1/2/3 with IC50 values below 20 nmol/L.
Storage Conditions
2 years -80 in solvent

Chemical Information

S-49076
CAS Number1265965-22-7
PubChem CID49870909
IUPAC Name3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC22H22N4O4S
Molecular Weight438.5
XLogP1
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity769
SMILES
C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O
InChI
InChI=1S/C22H22N4O4S/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25/h1-2,7-10,23H,3-6,11-13H2,(H,24,28)/b18-9-
InChIKey
AREYWCZYVPSHGS-NVMNQCDNSA-N
Chemical Structure
2D Structure
2D structure of S-49076
CAS: 1265965-22-7
CID: 49870909
Formula: C22H22N4O4S
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass438.13617637
Monoisotopic Mass438.13617637
Topological Polar Surface Area120 Ų
Heavy Atom Count31
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA8885-50S49076
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